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Compound Detail

CHEMBL564490

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CN1CC[C@@H](SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL564490
Phase Preclinical
Structure Type MOL
InChI Key GNEGVTFJIGGNMX-NENBDWHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
-0.53
ALogP
10
HBA
3
HBD
122.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N6O3S
MW 366.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
19364644 10.1016/j.bmcl.2009.03.132 DNA (cytosine-5)-methyltransferase 1 1
19364644 10.1016/j.bmcl.2009.03.132 DNA (cytosine-5)-methyltransferase 3B 1

Data from ChEMBL 36 via Core Engine